Vitas-M small molecule compound
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({[3-(diethylamino)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL150312
SMILES CCN(CCCN/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)S)CC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H32N4O2S MW 392.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N4O2S/c1-3-23(4-2)13-8-12-21-15-17-18(25)22-20(27)24(19(17)26)14-11-16-9-6-5-7-10-16/h9,15,21H,3-8,10-14H2,1-2H3,(H,22,25,27)/b17-15+InChIKey
OJMCJTKKDBKASJ-BMRADRMJSA-NSynonyms
(5E)1(2(cyclohex1en1yl)ethyl)5(((3(diethylamino)propyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((3(DIETHYLAMINO)PROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCN(CC)CCCNC=C1C(=O)NC(=S)N(C1=O)CCC2=CCCCC2
CCN(CCCNC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S)CC
InChI=1SC20H32N4O2Sc1323(42)1381221151718(25)2220(27)24(19(17)26)14111696571016h91521H381014H212H3(H222527)b1715+
MFCD04076033
ZINC000002386223
ZINC2386223
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